1-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-2-thione

Systemtic Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-2-thione Openeye Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-2-thione CAS Name: 1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-quinolinethione IUPAC Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-2-thione Traditional Name: 1-[(4-phenylpiperazin-1-ium-1-yl)methyl]quinoline-2-thione Formula: C20H22N3S+ MolecularWeight: 336.47378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)C=CC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)C=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3S/c24-20-11-10-17-6-4-5-9-19(17)23(20)16-21-12-14-22(15-13-21)18-7-2-1-3-8-18/h1-11H,12-16H2/p+1